2-(N-acetyl-3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide

C21H25N3O3 — CID 113173445

IUPAC2-(N-acetyl-3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCOc1cccc(N(CC(=O)Nc2ccc(N3CCCC3)cc2)C(C)=O)c1
InChIInChI=1S/C21H25N3O3/c1-16(25)24(19-6-5-7-20(14-19)27-2)15-21(26)22-17-8-10-18(11-9-17)23-12-3-4-13-23/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,22,26)
InChIKeyKHYLXDMLCYFDNE-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.29
Rot. Bonds6

About 2-(N-acetyl-3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-(N-acetyl-3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 113173445) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-(N-acetyl-3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID113173445
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-(N-acetyl-3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCOc1cccc(N(CC(=O)Nc2ccc(N3CCCC3)cc2)C(C)=O)c1
InChIInChI=1S/C21H25N3O3/c1-16(25)24(19-6-5-7-20(14-19)27-2)15-21(26)22-17-8-10-18(11-9-17)23-12-3-4-13-23/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,22,26)
InChIKeyKHYLXDMLCYFDNE-UHFFFAOYSA-N
XLogP3.29
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(N-acetyl-3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113180974
2-(N-acetyl-3-methoxyanilino)-N-(4-tert-butylphenyl)acetamide
CID 113173405
N-(4-acetamidophenyl)-2-(N-acetyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113177065
2-(N-acetyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113168582
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-phenylacetamide
CID 113177016
2-(N,4-diacetylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 113175689
2-(N-acetyl-3-methoxyanilino)-N-(3-bromo-4-methylphenyl)acetamide
CID 113173420
2-(N-acetyl-3-methylanilino)-N-(3-methoxyphenyl)acetamide
CID 113167583
2-(N-acetyl-3-fluoroanilino)-N-(3-methoxyphenyl)acetamide
CID 113177692
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113177048
2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 8592436
2-(N-acetyl-3-methoxyanilino)-N-cycloheptylacetamide
CID 113173369

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 113173445) is 2-(N-acetyl-3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide is COc1cccc(N(CC(=O)Nc2ccc(N3CCCC3)cc2)C(C)=O)c1.
What is the InChIKey of 2-(N-acetyl-3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is KHYLXDMLCYFDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16(25)24(19-6-5-7-20(14-19)27-2)15-21(26)22-17-8-10-18(11-9-17)23-12-3-4-13-23/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,22,26).
What are the key properties of 2-(N-acetyl-3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-(N-acetyl-3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 367.45 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 113173445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).